2-amino-N-[1-(4-ethoxyphenyl)ethyl]-5-methoxypentanamide

C16H26N2O3 — CID 81070435

IUPAC2-amino-N-[1-(4-ethoxyphenyl)ethyl]-5-methoxypentanamide
SMILESCCOc1ccc(C(C)NC(=O)C(N)CCCOC)cc1
InChIInChI=1S/C16H26N2O3/c1-4-21-14-9-7-13(8-10-14)12(2)18-16(19)15(17)6-5-11-20-3/h7-10,12,15H,4-6,11,17H2,1-3H3,(H,18,19)
InChIKeyBSNYVXLUKGOOTQ-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.02
Rot. Bonds9

About 2-amino-N-[1-(4-ethoxyphenyl)ethyl]-5-methoxypentanamide

2-amino-N-[1-(4-ethoxyphenyl)ethyl]-5-methoxypentanamide (PubChem CID 81070435) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-amino-N-[1-(4-ethoxyphenyl)ethyl]-5-methoxypentanamide.

Molecular Properties

Compound Name2-amino-N-[1-(4-ethoxyphenyl)ethyl]-5-methoxypentanamide
PubChem CID81070435
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name2-amino-N-[1-(4-ethoxyphenyl)ethyl]-5-methoxypentanamide
SMILESCCOc1ccc(C(C)NC(=O)C(N)CCCOC)cc1
InChIInChI=1S/C16H26N2O3/c1-4-21-14-9-7-13(8-10-14)12(2)18-16(19)15(17)6-5-11-20-3/h7-10,12,15H,4-6,11,17H2,1-3H3,(H,18,19)
InChIKeyBSNYVXLUKGOOTQ-UHFFFAOYSA-N
XLogP2.02
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[1-(4-ethoxyphenyl)ethyl]hexanamide
CID 60854414
2-amino-5-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]pentanamide
CID 81363764
2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-methoxypentanamide
CID 81349504
2-amino-N-[1-(4-ethoxyphenyl)ethyl]butanamide
CID 43713696
2-amino-4-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81363996
2-amino-N-[1-(3,4-difluorophenyl)ethyl]-5-methoxypentanamide
CID 81082530
2-amino-N-[1-[4-(3-methylbutoxy)phenyl]ethyl]pentanamide
CID 119311275
(2S)-2-amino-N-[1-(4-ethoxyphenyl)ethyl]-3-methylpentanamide
CID 61174084
2-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxybutanamide
CID 81350017
1-[1-(4-ethoxyphenyl)ethyl]-3-(3-methoxypropyl)thiourea
CID 19583934
2-amino-N-(4-ethoxy-2-methylphenyl)-5-methoxypentanamide
CID 81082492
(2S)-2-amino-N-[1-(4-methoxyphenyl)ethyl]butanamide
CID 66196419

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(4-ethoxyphenyl)ethyl]-5-methoxypentanamide?
The IUPAC name of 2-amino-N-[1-(4-ethoxyphenyl)ethyl]-5-methoxypentanamide (CID 81070435) is 2-amino-N-[1-(4-ethoxyphenyl)ethyl]-5-methoxypentanamide.
What is the SMILES notation for 2-amino-N-[1-(4-ethoxyphenyl)ethyl]-5-methoxypentanamide?
The canonical SMILES for 2-amino-N-[1-(4-ethoxyphenyl)ethyl]-5-methoxypentanamide is CCOc1ccc(C(C)NC(=O)C(N)CCCOC)cc1.
What is the InChIKey of 2-amino-N-[1-(4-ethoxyphenyl)ethyl]-5-methoxypentanamide?
The InChIKey is BSNYVXLUKGOOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-4-21-14-9-7-13(8-10-14)12(2)18-16(19)15(17)6-5-11-20-3/h7-10,12,15H,4-6,11,17H2,1-3H3,(H,18,19).
What are the key properties of 2-amino-N-[1-(4-ethoxyphenyl)ethyl]-5-methoxypentanamide?
2-amino-N-[1-(4-ethoxyphenyl)ethyl]-5-methoxypentanamide has a molecular weight of 294.40 g/mol, XLogP of 2.02, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(4-ethoxyphenyl)ethyl]-5-methoxypentanamide is sourced from PubChem (CID 81070435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).